pentadecafluorooctanoyl fluoride

• ChemBase ID: 12094
• Molecular Formular: C8F16O
• Molecular Mass: 416.0594512
• Monoisotopic Mass: 415.96936614
• SMILES: C(C(=O)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8F16O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
• InChIKey: ZILWJLIFAGWGLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentadecafluorooctanoyl fluoride
• IUPAC Traditional name: pentadecafluorooctanoyl fluoride
• Synonyms: Perfluorooctanoyl fluoride; Pentadecafluorooctanoyl fluoride; Perfluorooctanoyl fluoride 98%

Database IDs

• CAS Number: 335-66-0
• MDL Number: MFCD00153259
• PubChem SID: 160975401
• PubChem CID: 67634

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3585796
• LogD (pH = 7.4): 5.3585796
• Log P: 5.3585796
• Molar Refractivity: 40.8854 cm^3
• Polarizability: 16.247374 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 105-107°C
• Flash Point: none°C

Safety Information

• Storage Warning: Corrosive/Harmful/Irritant/Moisture Sensitive/Store under Argon; IRRITANT
• TSCA Listed: true

Product Information

• Purity: 98%

DETAILS

Apollo Scientific Ltd - PC6161

Packaged in FEP bottles